N-(4-methyl-2-oxidanylidene-chromen-7-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(4-methyl-2-oxidanylidene-chromen-7-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(4-methyl-2-oxo-chromen-7-yl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-methyl-2-oxo-1-benzopyran-7-yl)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(4-methyl-2-oxochromen-7-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2-keto-4-methyl-chromen-7-yl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C20H22N3O5S2+ MolecularWeight: 448.53578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H21N3O5S2/c1-14-11-19(25)28-17-12-15(4-5-16(14)17)21-18(24)13-22-6-8-23(9-7-22)30(26,27)20-3-2-10-29-20/h2-5,10-12H,6-9,13H2,1H3,(H,21,24)/p+1